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	hartrees
Energy at 0K	-264.499446
Energy at 298.15K	-264.498149
HF Energy	-264.499446
Nuclear repulsion energy	122.961199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	2315	2219	0.00	45.75	0.32	0.48
2	Σ_g	792	759	0.00	34.05	0.25	0.40
3	Σ_u	2446	2344	2990.88	0.00	0.00	0.00
4	Σ_u	1676	1606	91.00	0.00	0.00	0.00
5	Π_g	605	580	0.00	0.28	0.75	0.86
5	Π_g	605	580	0.00	0.28	0.75	0.86
6	Π_u	599	574	75.95	0.00	0.00	0.00
6	Π_u	599	574	75.95	0.00	0.00	0.00
7	Π_u	70	67	0.45	0.00	0.00	0.00
7	Π_u	70	67	0.45	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.272
C3	0.000	0.000	-1.272
O4	0.000	0.000	2.429
O5	0.000	0.000	-2.429

	C1	C2	C3	O4	O5
C1		1.2722	1.2722	2.4290	2.4290
C2	1.2722		2.5444	1.1568	3.7012
C3	1.2722	2.5444		3.7012	1.1568
O4	2.4290	1.1568	3.7012		4.8580
O5	2.4290	3.7012	1.1568	4.8580

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O4	180.000		C1	C3	O5	180.000
C2	C1	C3	180.000

All results from a given calculation for C₃O₂ (Carbon suboxide)

using model chemistry: PBE1PBE/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.125
2	C	0.261
3	C	0.261
4	O	-0.199
5	O	-0.199

<r²>	131.333
(<r²>)^1/2	11.460

All results from a given calculation for C3O2 (Carbon suboxide)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for C₃O₂ (Carbon suboxide)